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Dissociation Energy of Molecular Hydrogen Isotopologues

Published 4 Sep 2019 in physics.chem-ph | (1909.01985v1)

Abstract: The nonrelativistic energy together with relativistic and quantum electrodynamic corrections for all the molecular hydrogen isotopologues (D$_2$, T$_2$, HD, HT, DT) were evaluated without expansion in the electron-nucleus mass ratio. The obtained results significantly improve the uncertainty of theoretical predictions, reaching a value below 1 MHz for the total dissociation energy. We observe good agreement with the experimental value for D$_2$ and $3\,\sigma$ discrepancy for the HD molecule, while no experimental values for the dissociation energy of molecules involving tritium have yet been obtained.

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